%chk=000052422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052422

0 1
 O  -0.2166000       1.438200      0.9525000    
 O    1.303900      -2.343700       1.322900    
 O    1.107800      -3.861000     -0.3525000    
 N   0.9605000     -0.2301000     -0.1928000    
 N   -1.379900     -0.4218000      0.1744000    
 C    2.236500      0.4594000     -0.1669000    
 C   0.9003000      -1.523900     -0.8904000    
 C  -0.2160000      0.3580000      0.3602000    
 C    2.228100       1.826900     -0.2029000    
 C    3.374400     -0.2978000     -0.1085000    
 C   -2.699100      1.2400000E-02  4.1800000E-02
 C    3.455100       2.489800     -0.1783000    
 C    4.601400      0.3651000     -8.3700001E-02
 C    4.641800       1.759000     -0.1184000    
 C    1.111400      -2.697700      3.0999999E-02
 C   -3.724600     -0.9162000     -0.1362000    
 C   -2.992700       1.375400      8.6700000E-02
 C   -5.043500     -0.4820000     -0.2691000    
 C   -4.311600       1.809600     -4.5899998E-02
 C   -5.337000      0.8808000     -0.2238000    
 H    1.669700      -1.551600      -1.671000    
 H  -5.4800000E-02  -1.644100      -1.409200    
 H    1.340700       2.435400     -0.3245000    
 H    3.389900      -1.379600     -6.9399998E-02
 H   -1.262300      -1.428600      0.1181000    
 H    3.488200       3.574500     -0.2228000    
 H    5.525700     -0.2033000     -3.5799999E-02
 H    5.597200       2.275100     -0.1027000    
 H   -3.510500      -1.981400     -0.1737000    
 H   -2.238100       2.144500      0.1962000    
 H   -5.841900      -1.205100     -0.4082000    
 H   -4.540500       2.871000     -1.6899999E-02
 H   -6.363800       1.218900     -0.3286000    
 H    1.439000      -3.124200       1.901400    


%chk=000052422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052422

0 1
O -0.332323 1.903752 -0.429917
O 0.077091 -2.580183 0.838586
O 1.978916 -3.480272 -0.146976
N 0.998621 -0.068339 -0.500419
N -1.302379 -0.194723 -0.001694
C 2.296701 0.524593 -0.268667
C 0.958188 -1.416949 -1.099654
C -0.234157 0.647879 -0.316667
C 2.467288 1.917787 -0.024324
C 3.450508 -0.311953 -0.265519
C -2.687532 0.139651 0.020008
C 3.754125 2.439897 0.220256
C 4.732334 0.231746 -0.032178
C 4.898442 1.610717 0.215448
C 1.108447 -2.592181 -0.122559
C -3.588064 -0.895994 0.395052
C -3.197361 1.421955 -0.317741
C -4.976185 -0.656514 0.429591
C -4.591526 1.642713 -0.285067
C -5.489611 0.616226 0.086240
H 1.765417 -1.517382 -1.843441
H -0.005317 -1.541286 -1.625352
H 1.601372 2.578833 -0.050395
H 3.377576 -1.392007 -0.419902
H -1.061758 -1.119230 0.381625
H 3.857425 3.515376 0.404074
H 5.599802 -0.437790 -0.035805
H 5.893653 2.028945 0.399005
H -3.197730 -1.888739 0.654030
H -2.505450 2.223082 -0.581762
H -5.656122 -1.464659 0.721617
H -4.976071 2.634921 -0.547263
H -6.568275 0.803642 0.111441
H 0.192655 -3.321616 1.491330


